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240115-50-8 | Isothiazole, 2,3-dihydro-, 1,1-dioxide
CAS No: 240115-50-8 Catalog No: AG006XN9 MDL No:MFCD22571426
Product Description
Catalog Number:
AG006XN9
Chemical Name:
Isothiazole, 2,3-dihydro-, 1,1-dioxide
CAS Number:
240115-50-8
Molecular Formula:
C3H5NO2S
Molecular Weight:
119.1423
MDL Number:
MFCD22571426
IUPAC Name:
2,3-dihydro-1,2-thiazole 1,1-dioxide
InChI:
InChI=1S/C3H5NO2S/c5-7(6)3-1-2-4-7/h1,3-4H,2H2
InChI Key:
OGOVCJUTZGZKOH-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCC=C1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.004g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.138g/mol
Monoisotopic Mass:
119.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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